SCHEMBL9033424

SCHEMBL9033424

Cc1ccnc2c(C(F)(F)F)cccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.62
COPS5 Q92905 2/20 0.62
CCR1 P32246 2/20 0.55
CCR5 P51681 2/20 0.55
CCR8 P51685 2/20 0.55
NCF1 P14598 1/20 0.52
PARP1 P09874 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
NR1H2 P55055 7/20 0.47
NR1H3 Q13133 6/20 0.47
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13700995 0.85 PSMD14 (0.62) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL26523568 0.85 PSMD14 (0.58) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL16248304 0.81 NCF1 (0.52) PSMD14COPS5NCF1PARP1L3MBTL1
SCHEMBL7757756 0.80 NCF1 (0.55) PSMD14COPS5NCF1PARP1NR1H2
SCHEMBL30604782 0.80 NR4A2 (0.56) PSMD14COPS5NCF1PARP1NR1H2
SCHEMBL2876594 0.80 NR4A2 (0.56) PSMD14COPS5NCF1PARP1NR1H2
SCHEMBL29862680 0.80 NCF1 (0.51) PSMD14COPS5NCF1PARP1NR1H2
SCHEMBL2876591 0.80 NCF1 (0.51) PSMD14COPS5NCF1PARP1L3MBTL1
SCHEMBL317787 0.80 NCF1 (0.51) PSMD14COPS5CCR1CCR8NCF1
SCHEMBL30880479 0.80 NCF1 (0.51) PSMD14COPS5CCR1CCR8NCF1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
EP-2616460-B1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMA CO LTD (JP) 2015-10-28 EP disclosed
US-9090572-B2 Substituted quinoxalines compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-28 US disclosed
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE OTSUKA PHARMACEUTICAL CO., LTD (JP) 2013-10-03 US disclosed
WO-2013137479-A1 DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2012036253-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-22 WO disclosed
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-7247756-B2 1,4-disubstituted benzenes as insecticides BAYER CROPSCIENCE AG (DE) 2007-07-24 US disclosed
US-5589484-A TREATMENT OF HELICOBACTER INFECTIONS, ANTIULCER JANSSEN PHARMACEUTICA N.V. (BE) 1996-12-31 US disclosed
EP-0666855-B1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA NV (BE) 1996-09-18 EP disclosed
EP-0666855-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY. JANSSEN PHARMACEUTICA NV (BE) 1995-08-16 EP disclosed
WO-1994010164-A1 4-QUINOLINYL DERIVATIVES WITH ANTI-HELICOBACTER ACTIVITY JANSSEN PHARMACEUTICA N.V. (BE) 1994-05-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C PSMD14 3353/4885COPS5 3101/4885CCR1 1131/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 PSMD14 1894/4885COPS5 695/4885CCR1 2172/4885
US-20130261081-A1 HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE MC2R, SLC6A2, CRH PSMD14 3104/4885COPS5 2274/4885CCR1 2203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.